UCSF

ZINC20282339

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 Yes

Popular Name: 4-(aminomethyl)-N-methylbenzamide 4-(aminomethyl)-N-methylbenzamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1158467-80-1 , 164648-64-0 , [164648-64-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.32 0.74 -58.18 4 3 1 57 165.216 2 ↓
Hi High (pH 8-9.5) 0.32 0.35 -10.56 3 3 0 55 164.208 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 271 - 273 Enamine Building Blocks
MP 271...273 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 92 Enamine Building Blocks
MP 90...92 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )